(2S)-2-(1,3-benzodioxol-5-yl)-2-(propylamino)ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(propylamino)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(propylamino)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(propylamino)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(propylamino)acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(propylamino)acetonitrile Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCN[C@H](C#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H14N2O2/c1-2-5-14-10(7-13)9-3-4-11-12(6-9)16-8-15-11/h3-4,6,10,14H,2,5,8H2,1H3/t10-/m1/s1